Summary

IMPPAT Phytochemical identifier: IMPHY015588

Phytochemical name: Ethylcyclohexane

Synonymous chemical names:
cyclohexane, ethyl, ethyl cyclohexane, ethylcyclohexane

External chemical identifiers:
CID:15504, ChEMBL:CHEMBL1882821, ChEBI:137775, ZINC:ZINC000001648302, FDASRS:567IJI1215, SureChEMBL:SCHEMBL5313, MolPort-003-933-653

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Chemical structure information

SMILES:
CCC1CCCCC1

InChI:
InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3

InChIKey:
IIEWJVIFRVWJOD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC6

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Saturated hydrocarbons

ClassyFire Subclass: Cycloalkanes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.087

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Chemical structure download